Using VASP

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valence electron change in LDA+U and core charge calculation

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by montywang » Fri Oct 08, 2010 1:21 am

1 Replies

1310 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
Some questions regarding MD calculations

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by TING QIN » Wed Oct 06, 2010 9:33 am

1 Replies

2125 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
inclusion of solvation effect

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by luke419 » Wed Oct 06, 2010 8:15 am

1 Replies

1742 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
DOS problem with increasing k-POINTS

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by shpkl » Fri Oct 01, 2010 4:06 am

1 Replies

1448 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
HSE for metals

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by rgc » Wed Sep 29, 2010 10:31 am

1 Replies

1486 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
Setting for trigonal (P-3m1, 164) for elastic constant calculation

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by babaleo » Wed Nov 17, 2010 1:52 pm

1 Replies

1357 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
How to simulate XPS by using VASP.

Last post by support_vasp « Wed Sep 11, 2024 2:29 pm
Replies: 1
by ljx2009 » Sun Nov 14, 2010 1:50 pm

1 Replies

1645 Views

Last post by support_vasp
Wed Sep 11, 2024 2:29 pm
Si(111) surface

Last post by support_vasp « Wed Sep 11, 2024 2:29 pm
Replies: 1
by Oscar_rp » Thu May 27, 2010 10:40 am

1 Replies

1278 Views

Last post by support_vasp
Wed Sep 11, 2024 2:29 pm
p4vasp - molecule geometry

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by benzoic acid » Wed Sep 29, 2010 10:31 am

1 Replies

1625 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
VBM for indirect gap material

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by mamini » Wed Sep 29, 2010 9:47 am

1 Replies

1103 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
band structure

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by apple » Tue Sep 28, 2010 3:11 am

1 Replies

1184 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
ERROR from PRICEL

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by okuno » Wed Sep 22, 2010 8:36 am

1 Replies

1684 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
For charged molecule relaxation, dipole correction is needed?

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by cenwanglai » Tue Sep 21, 2010 6:45 am

1 Replies

1549 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Negative DOS and ISMEAR=-5

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by limkr » Mon Sep 20, 2010 7:33 pm

1 Replies

1599 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Basic question

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by susantt » Mon Sep 13, 2010 12:07 am

1 Replies

1116 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
the dissociation energy

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by yidiandian1981 » Fri Sep 10, 2010 8:36 am

1 Replies

985 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Restart only from CONTCAR (NO WAVECAR)

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by giacomo giorgi » Fri Sep 10, 2010 8:24 am

1 Replies

1367 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
HSE optics calculation, heavy element having f electrons

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by tilak » Thu Sep 09, 2010 2:24 pm

1 Replies

1328 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
About POMASS in a Simulated annealing run

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by yjwang » Wed Sep 08, 2010 1:48 pm

1 Replies

1605 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
EFIELD

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by pramanikanup » Tue Sep 07, 2010 1:01 pm

1 Replies

1750 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm

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